supporting information
收藏DataCite Commons2025-03-19 更新2025-03-22 收录
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https://aip.figshare.com/articles/dataset/supporting_information/28506638/1
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资源简介：
The detailed geometric parameters optimized by different functionals is supplemented in Table S1. The RESP and Hirshfeld charges of all atoms in [(2,2'-bpy)2Ag]22+ are listed in Table S2. Table S3 and S4 show the GKS-EDA results for different geometries on PES of [(2,2'-bpy)2Ag]22+ and bare Ag+-Ag+, respectively. The optimized geometries of dimer and monomer with different density functionals are also provided in Supporting Information.
提供机构：
AIP Publishing
创建时间：
2025-03-19
